2-[(1R,2S)-2-fluorocyclopropyl]acetamide

C5H8FNO — CID 90015212

IUPAC2-[(1R,2S)-2-fluorocyclopropyl]acetamide
SMILESNC(=O)C[C@@H]1C[C@@H]1F
InChIInChI=1S/C5H8FNO/c6-4-1-3(4)2-5(7)8/h3-4H,1-2H2,(H2,7,8)/t3-,4-/m0/s1
InChIKeyJITDWIDXUHAUHY-IMJSIDKUSA-N
MW117.12 g/mol
LogP0.22
Rot. Bonds2

About 2-[(1R,2S)-2-fluorocyclopropyl]acetamide

2-[(1R,2S)-2-fluorocyclopropyl]acetamide (PubChem CID 90015212) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is 2-[(1R,2S)-2-fluorocyclopropyl]acetamide.

Molecular Properties

Compound Name2-[(1R,2S)-2-fluorocyclopropyl]acetamide
PubChem CID90015212
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name2-[(1R,2S)-2-fluorocyclopropyl]acetamide
SMILESNC(=O)C[C@@H]1C[C@@H]1F
InChIInChI=1S/C5H8FNO/c6-4-1-3(4)2-5(7)8/h3-4H,1-2H2,(H2,7,8)/t3-,4-/m0/s1
InChIKeyJITDWIDXUHAUHY-IMJSIDKUSA-N
XLogP0.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-fluorocyclopropyl]acetamide?
The IUPAC name of 2-[(1R,2S)-2-fluorocyclopropyl]acetamide (CID 90015212) is 2-[(1R,2S)-2-fluorocyclopropyl]acetamide.
What is the SMILES notation for 2-[(1R,2S)-2-fluorocyclopropyl]acetamide?
The canonical SMILES for 2-[(1R,2S)-2-fluorocyclopropyl]acetamide is NC(=O)C[C@@H]1C[C@@H]1F.
What is the InChIKey of 2-[(1R,2S)-2-fluorocyclopropyl]acetamide?
The InChIKey is JITDWIDXUHAUHY-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H8FNO/c6-4-1-3(4)2-5(7)8/h3-4H,1-2H2,(H2,7,8)/t3-,4-/m0/s1.
What are the key properties of 2-[(1R,2S)-2-fluorocyclopropyl]acetamide?
2-[(1R,2S)-2-fluorocyclopropyl]acetamide has a molecular weight of 117.12 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-fluorocyclopropyl]acetamide is sourced from PubChem (CID 90015212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).